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3Â¥: Originally posted by xiaoyue1610 at 2012-07-23 18:37:56
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     ===============================================================
     Materials Studio DMol^3 version 6.0
     compiled on Dec  8 2011 15:31:13
     ===============================================================

     ===============================================================
     Density Functional Theory Electronic Structure Program
     Copyright (c) 2011, Accelrys Inc. All rights reserved.
     Cite work using this program as:
     B. Delley, J. Chem. Phys. 92,  508  (1990).
     B. Delley, J. Chem. Phys. 113, 7756 (2000).
     DMol^3 is available as part of Materials Studio.
     ===============================================================

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00ÄêµÄ From molecules to solids with the DMol3 approach

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